Geometry & MOs

Info

ID:	28129
PubChem CID:	825760
Reduced:	ClN2S2H3C5 (1)
Stoich.:	AB2C2D3E5 (1)
Weight, g/mol:	207.089543
ΔH_f, kcal/mol:	67.21
Dipole, Da:	4.9
IP(EA), eV:	-9.23(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-(3-aminophenyl)-2-methyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CSC1=NC(=C(S1)C#N)Cl

DOS

IR

Vibrations